feat(runtime): md describes its parameters as a form #591

2026-10-21T01:54:52Z

rvnminers-A-and-N commented

2026-10-21 01:54:52 +00:00

This is a follow-up to #587 and #588, which are both merged. md now has a form, so the desktop's Run page (#585) can ask for a molecular dynamics job field by field. It has six fields:

Molecule: a stored PDB file. It's optional; without one, md uses the villin headpiece in water.
Length: in picoseconds, from 0.002 to a million, defaulting to 10.
Temperature: in kelvin, from 1 to 1000, defaulting to 300.
Replicas: from 0 to 10,000, where 0 leaves it to the pool.
Frames: from 1 to 100,000, defaulting to 50.
Seed: from 1 to 1,073,741,823, defaulting to 1.

The bounds are the ones md's Split already enforces. #588's guard test now covers md as well. It submits the form's defaults, and checks that a value just past each bound, or a missing required field, is refused.

Testing: go test ./packages/runtime, plus the API, MCP and daemon tests that list workloads, all pass. The README now lists md among the workloads with forms.

This is a follow-up to #587 and #588, which are both merged. `md` now has a form, so the desktop's Run page (#585) can ask for a molecular dynamics job field by field. It has six fields: - **Molecule:** a stored PDB file. It's optional; without one, md uses the villin headpiece in water. - **Length:** in picoseconds, from 0.002 to a million, defaulting to 10. - **Temperature:** in kelvin, from 1 to 1000, defaulting to 300. - **Replicas:** from 0 to 10,000, where 0 leaves it to the pool. - **Frames:** from 1 to 100,000, defaulting to 50. - **Seed:** from 1 to 1,073,741,823, defaulting to 1. The bounds are the ones md's `Split` already enforces. #588's guard test now covers md as well. It submits the form's defaults, and checks that a value just past each bound, or a missing required field, is refused. **Testing:** `go test ./packages/runtime`, plus the API, MCP and daemon tests that list workloads, all pass. The README now lists md among the workloads with forms.

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Reference: Sisyphus/Sisyphus#591